N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C12H17N5OS — CID 17492540

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCc1nnc(NC(=O)Cc2c(C)nn(C)c2C)s1
InChIInChI=1S/C12H17N5OS/c1-5-11-14-15-12(19-11)13-10(18)6-9-7(2)16-17(4)8(9)3/h5-6H2,1-4H3,(H,13,15,18)
InChIKeyABMLEAQRBOLJAN-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.63
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 17492540) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID17492540
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCc1nnc(NC(=O)Cc2c(C)nn(C)c2C)s1
InChIInChI=1S/C12H17N5OS/c1-5-11-14-15-12(19-11)13-10(18)6-9-7(2)16-17(4)8(9)3/h5-6H2,1-4H3,(H,13,15,18)
InChIKeyABMLEAQRBOLJAN-UHFFFAOYSA-N
XLogP1.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 17492540) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is CCc1nnc(NC(=O)Cc2c(C)nn(C)c2C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is ABMLEAQRBOLJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-5-11-14-15-12(19-11)13-10(18)6-9-7(2)16-17(4)8(9)3/h5-6H2,1-4H3,(H,13,15,18).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 279.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 17492540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).